General Information of the Compound
| Compound ID |
CP0544729
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| Compound Name |
5-[5-amino-7-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-3-methyl-1H-pyridin-2-one
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| Formula |
C23H24FN7O
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| Molecular Weight |
433.491
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| Canonical SMILES |
Cc1cc(c[nH]c1=O)-c1c(nc(N)n2nc(CN3CCCCC3)nc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H24FN7O/c1-14-11-16(12-26-22(14)32)19-20(15-5-7-17(24)8-6-15)28-23(25)31-21(19)27-18(29-31)13-30-9-3-2-4-10-30/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,26,32)
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| InChIKey |
ZALYOQFYJRNSPA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b